N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine

C14H18N2O2 — CID 75460721

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine
SMILESCc1noc(C)c1CN(Cc1ccco1)C1CC1
InChIInChI=1S/C14H18N2O2/c1-10-14(11(2)18-15-10)9-16(12-5-6-12)8-13-4-3-7-17-13/h3-4,7,12H,5-6,8-9H2,1-2H3
InChIKeyMOEHVLTYMMCIKR-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.05
Rot. Bonds5

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine (PubChem CID 75460721) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine
PubChem CID75460721
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine
SMILESCc1noc(C)c1CN(Cc1ccco1)C1CC1
InChIInChI=1S/C14H18N2O2/c1-10-14(11(2)18-15-10)9-16(12-5-6-12)8-13-4-3-7-17-13/h3-4,7,12H,5-6,8-9H2,1-2H3
InChIKeyMOEHVLTYMMCIKR-UHFFFAOYSA-N
XLogP3.05
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine (CID 75460721) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine is Cc1noc(C)c1CN(Cc1ccco1)C1CC1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine?
The InChIKey is MOEHVLTYMMCIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-14(11(2)18-15-10)9-16(12-5-6-12)8-13-4-3-7-17-13/h3-4,7,12H,5-6,8-9H2,1-2H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine has a molecular weight of 246.31 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 75460721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).